329045

4-Fluoro-3-nitrobenzoic acid

98%

• Linear Formula: FC₆H₃(NO₂)CO₂H
• CAS Number: 453-71-4
• Molecular Weight: 185.11
• EC Number: 207-221-3
• MDL number: MFCD00007058
• UNSPSC Code: 12352100
• PubChem Substance ID: 24859766
• NACRES: NA.22

Properties

• Assay: 98%
• form: solid
• mp: 123-126 °C (lit.)
• solubility: 95% ethanol: soluble 50 mg/mL, clear, light yellow
• SMILES string: OC(=O)c1ccc(F)c(c1)[N+]([O-])=O
• InChI: 1S/C7H4FNO4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3H,(H,10,11)
• InChI key: BOJWTAQWPVBIPG-UHFFFAOYSA-N

Description

Application

4-Fluoro-3-nitrobenzoic acid was used:

• as starting reagent in the preparation of novel benzimidazoles having antimycobacterial activity
• in preparation of series of novel acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) inhibitors containing benzimidazole core structure
• in preparation of bis(heterocyclic) skeletal precursors for the Pictet-Spengler reaction
• in solid-phase synthesis of trisubstituted [1,3,5]triazino[1,2-a]benzimidazole-2,4(3H,10H)-diones

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H302,H315,H319,H335
• Precautionary Statements: P261 - P264 - P271 - P301 + P312 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 2
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves